Geometry & MOs

Info

ID:

402343

PubChem CID:

135055586

Reduced:

P2N9O17C27H35 (1)

Stoich.:

A2B9C17D27E35 (1)

Weight, g/mol:

255.147058

ΔHf, kcal/mol:

-692.92

Dipole, Da:

13.97

IP(EA), eV:

 -8.93(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-tert-butyl 4-O-methyl (2R)-2,5-dimethyl-2,3-dihydropyrrole-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3(N2)OO)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OCC4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O

DOS

IR

Vibrations